SpectraBase Spectrum ID |
7Ugf1pSYfav |
Name |
Prop-2-enyl R,3S)-3-hydroxy-2,4-dimethylpentanoate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
186.125594437 u |
Formula |
C10H18O3 |
InChI |
InChI=1S/C10H18O3/c1-5-6-13-10(12)8(4)9(11)7(2)3/h5,7-9,11H,1,6H2,2-4H3/t8?,9-/m0/s1 |
InChIKey |
XFUGSWFXQXFKRC-GKAPJAKFSA-N |
Molecular Weight |
186.251 g/mol |
SMILES |
C(C(=O)OCC=C)([C@](C(C)C)(O)[H])C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910667 |